(4-chloro-1H-indazol-3-yl) acetate

C9H7ClN2O2 — CID 70598926

IUPAC(4-chloro-1H-indazol-3-yl) acetate
SMILESCC(=O)Oc1n[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-5(13)14-9-8-6(10)3-2-4-7(8)11-12-9/h2-4H,1H3,(H,11,12)
InChIKeyVENWETXUOZEEBN-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.14
Rot. Bonds1

About (4-chloro-1H-indazol-3-yl) acetate

(4-chloro-1H-indazol-3-yl) acetate (PubChem CID 70598926) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is (4-chloro-1H-indazol-3-yl) acetate.

Molecular Properties

Compound Name(4-chloro-1H-indazol-3-yl) acetate
PubChem CID70598926
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name(4-chloro-1H-indazol-3-yl) acetate
SMILESCC(=O)Oc1n[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-5(13)14-9-8-6(10)3-2-4-7(8)11-12-9/h2-4H,1H3,(H,11,12)
InChIKeyVENWETXUOZEEBN-UHFFFAOYSA-N
XLogP2.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indazol-3-yl) acetate?
The IUPAC name of (4-chloro-1H-indazol-3-yl) acetate (CID 70598926) is (4-chloro-1H-indazol-3-yl) acetate.
What is the SMILES notation for (4-chloro-1H-indazol-3-yl) acetate?
The canonical SMILES for (4-chloro-1H-indazol-3-yl) acetate is CC(=O)Oc1n[nH]c2cccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-indazol-3-yl) acetate?
The InChIKey is VENWETXUOZEEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-5(13)14-9-8-6(10)3-2-4-7(8)11-12-9/h2-4H,1H3,(H,11,12).
What are the key properties of (4-chloro-1H-indazol-3-yl) acetate?
(4-chloro-1H-indazol-3-yl) acetate has a molecular weight of 210.62 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indazol-3-yl) acetate is sourced from PubChem (CID 70598926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).